0 B18R0.176 CC(=CCCSCCCCCCCCCCCO)C 62a_100009812471_100011217483 [0,0,0,0,0,0|3,0,1]=4 1 B18R0.176 CC(=CCSCCCCCCCCCCCCO)C 62a_100009813331_100000761012 [0,0,0,0,0,0|3,0,1]=4 2 B18R0.176 CC(=O)SCCCCCCCCCCCOCCBr 34a_100000211926_100010140907 [0,0,0,0,0,0|4,0,0]=4 3 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100010140907_100011217306 [0,0,0,0,0,0|4,0,0]=4 4 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100011217306_100010140907 [0,0,0,0,0,0|4,0,0]=4 5 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 34a_100009813782_200010402107 [0,0,0,0,0,0|4,0,0]=4 6 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 7a_100009813782_200010402107 [0,0,0,0,0,0|4,0,0]=4 7 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 34a_100009868337_200010402107 [0,0,0,0,0,0|4,0,0]=4 8 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 7a_100009868337_200010402107 [0,0,0,0,0,0|4,0,0]=4 9 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 34a_100009813290_100000038929 [0,0,0,0,0,0|4,0,0]=4 10 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 7a_100009813290_100000038929 [0,0,0,0,0,0|4,0,0]=4 11 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 34a_200000033068_100000038929 [0,0,0,0,0,0|4,0,0]=4 12 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 7a_200000033068_100000038929 [0,0,0,0,0,0|4,0,0]=4 13 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,0,0,0,0,0|3,0,0]=3 14 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,0,0,0,0,0|3,0,0]=3 15 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,0,0,0,0,0|3,0,0]=3 16 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,0,0,0,0,0|3,0,0]=3 17 B18R0.176 CCCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011934334 [0,0,0,0,0,0|4,0,0]=4 18 B18R0.176 CCCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000759014 [0,0,0,0,0,0|4,0,0]=4 19 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [0,0,0,0,0,0|4,0,0]=4 20 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [0,0,0,0,0,0|4,0,0]=4 21 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [0,0,0,0,0,0|4,0,0]=4 22 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [0,0,0,0,0,0|4,0,0]=4 23 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 34a_100000210711_200010402107 [0,0,0,0,0,0|4,0,0]=4 24 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 7a_100000210711_200010402107 [0,0,0,0,0,0|4,0,0]=4 25 B18R0.176 CCCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210320 [0,0,0,0,0,0|4,0,0]=4 26 B18R0.176 CCCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210320 [0,0,0,0,0,0|4,0,0]=4 27 B18R0.176 CCCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210670 [0,0,0,0,0,0|4,0,0]=4 28 B18R0.176 CCCOCCCCCCCCCCCSC(=O)C 34a_100000210258_100010140907 [0,0,0,0,0,0|4,0,0]=4 29 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100000210303_100010140907 [0,0,0,0,0,0|4,0,0]=4 30 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210303 [0,0,0,0,0,0|4,0,0]=4 31 B18R0.176 OCCCCCCCCCCCSCCC=C(F)F 62a_100009812471_200009816681 [0,0,0,0,0,0|3,0,1]=4 32 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [1,0,0,0,0,0|3,0,0]=4 33 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [1,0,0,0,0,0|3,0,0]=4 34 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [1,0,0,0,0,0|3,0,0]=4 35 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [1,0,0,0,0,0|3,0,0]=4 36 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [1,0,0,0,0,0|3,0,0]=4 37 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [1,0,0,0,0,0|3,0,0]=4 38 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [1,0,0,0,0,0|3,0,0]=4 39 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [1,0,0,0,0,0|3,0,0]=4 40 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [1,0,0,0,0,0|3,0,0]=4 41 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [1,0,0,0,0,0|3,0,0]=4 42 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [1,0,0,0,0,0|3,0,0]=4 43 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [1,0,0,0,0,0|3,0,0]=4 44 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [1,0,0,0,0,0|3,0,0]=4 45 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [1,0,0,0,0,0|3,0,0]=4 46 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [1,0,0,0,0,0|3,0,0]=4 47 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [1,0,0,0,0,0|3,0,0]=4 48 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [1,0,0,0,0,0|3,0,0]=4 49 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [1,0,0,0,0,0|3,0,0]=4 50 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [1,0,0,0,0,0|1,0,2]=4 51 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [1,0,0,0,0,0|1,0,2]=4 52 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [1,0,0,0,0,0|1,0,2]=4 53 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [1,0,0,0,0,0|3,0,0]=4 54 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [1,0,0,0,0,0|3,0,0]=4 55 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [1,0,0,0,0,0|3,0,0]=4 56 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [1,0,0,0,0,0|2,0,1]=4 57 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [1,0,0,0,0,0|2,0,1]=4 58 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [1,0,0,0,0,0|2,0,0]=3 59 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [1,0,0,0,0,0|2,0,0]=3 60 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [1,0,0,0,0,0|2,0,0]=3 61 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [1,0,0,0,0,0|2,0,1]=4 62 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [1,0,0,0,0,0|3,0,0]=4 63 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [1,0,0,0,0,0|2,0,0]=3 64 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,0,0,0,0,0|2,0,1]=4 65 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [1,0,0,0,0,0|2,0,0]=3 66 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [1,0,0,0,0,0|3,0,0]=4 67 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [1,0,0,0,0,0|3,0,0]=4 68 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [1,0,0,0,0,0|3,0,0]=4 69 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [1,0,0,0,0,0|3,0,0]=4 70 B17R0.117 C/C=C/CSCCCCCCCCCCCCO 62a_100009813331_100102629194 [1,0,0,0,0,0|2,0,1]=4 71 B17R0.117 CC=CCSCCCCCCCCCCCCO 62a_100009813331_100000070051 [1,0,0,0,0,0|2,0,1]=4 72 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_200000297553 [0,1,0,0,0,0|3,0,0]=4 73 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_200000297553_106832991635 [0,1,0,0,0,0|3,0,0]=4 74 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_200000297553 [0,1,0,0,0,0|3,0,0]=4 75 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_200000297553_100102657272 [0,1,0,0,0,0|3,0,0]=4 76 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_200000297553 [0,1,0,0,0,0|3,0,0]=4 77 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_200000297553_100102657272 [0,1,0,0,0,0|3,0,0]=4 78 B19R1.274 CCCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000759014 [0,0,0,1,0,0|3,0,0]=4 79 B19R1.970 CCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011215454 [0,0,0,1,0,0|3,0,0]=4 80 B19R1.5152 CCCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011934334 [0,0,0,1,0,0|3,0,0]=4 81 B19R1.5152 CCCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000759014 [0,0,0,1,0,0|3,0,0]=4 82 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 34a_100000211378_100000685027 [0,0,0,1,0,0|3,0,0]=4 83 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 7a_100000211378_100011215641 [0,0,0,1,0,0|3,0,0]=4 84 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [2,0,0,0,0,0|1,0,0]=3 85 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [2,0,0,0,0,0|1,0,0]=3 86 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [2,0,0,0,0,0|1,0,0]=3 87 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [2,0,0,0,0,0|2,0,0]=4 88 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [2,0,0,0,0,0|2,0,0]=4 89 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [2,0,0,0,0,0|2,0,0]=4 90 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [2,0,0,0,0,0|2,0,0]=4 91 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [2,0,0,0,0,0|2,0,0]=4 92 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [2,0,0,0,0,0|2,0,0]=4 93 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [2,0,0,0,0,0|2,0,0]=4 94 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [2,0,0,0,0,0|2,0,0]=4 95 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [2,0,0,0,0,0|2,0,0]=4 96 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [2,0,0,0,0,0|2,0,0]=4 97 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [2,0,0,0,0,0|2,0,0]=4 98 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [2,0,0,0,0,0|2,0,0]=4 99 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [2,0,0,0,0,0|2,0,0]=4 100 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [2,0,0,0,0,0|2,0,0]=4 101 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [2,0,0,0,0,0|2,0,0]=4 102 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [2,0,0,0,0,0|2,0,0]=4 103 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [2,0,0,0,0,0|2,0,0]=4 104 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [2,0,0,0,0,0|2,0,0]=4 105 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [2,0,0,0,0,0|2,0,0]=4 106 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [2,0,0,0,0,0|2,0,0]=4 107 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [2,0,0,0,0,0|2,0,0]=4 108 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [2,0,0,0,0,0|2,0,0]=4 109 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [2,0,0,0,0,0|2,0,0]=4 110 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [2,0,0,0,0,0|2,0,0]=4 111 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [2,0,0,0,0,0|2,0,0]=4 112 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [2,0,0,0,0,0|2,0,0]=4 113 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [2,0,0,0,0,0|2,0,0]=4 114 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [2,0,0,0,0,0|2,0,0]=4 115 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [2,0,0,0,0,0|2,0,0]=4 116 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [2,0,0,0,0,0|2,0,0]=4 117 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [2,0,0,0,0,0|2,0,0]=4 118 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [2,0,0,0,0,0|2,0,0]=4 119 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [2,0,0,0,0,0|2,0,0]=4 120 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [2,0,0,0,0,0|2,0,0]=4 121 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [2,0,0,0,0,0|2,0,0]=4 122 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [2,0,0,0,0,0|2,0,0]=4 123 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [2,0,0,0,0,0|2,0,0]=4 124 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [2,0,0,0,0,0|2,0,0]=4 125 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [2,0,0,0,0,0|2,0,0]=4 126 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [2,0,0,0,0,0|2,0,0]=4 127 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [2,0,0,0,0,0|2,0,0]=4 128 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [2,0,0,0,0,0|2,0,0]=4 129 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [2,0,0,0,0,0|2,0,0]=4 130 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [2,0,0,0,0,0|2,0,0]=4 131 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [2,0,0,0,0,0|2,0,0]=4 132 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [2,0,0,0,0,0|2,0,0]=4 133 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [2,0,0,0,0,0|2,0,0]=4 134 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [2,0,0,0,0,0|2,0,0]=4 135 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [2,0,0,0,0,0|2,0,0]=4 136 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [2,0,0,0,0,0|2,0,0]=4 137 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [2,0,0,0,0,0|2,0,0]=4 138 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [2,0,0,0,0,0|2,0,0]=4 139 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [2,0,0,0,0,0|2,0,0]=4 140 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [2,0,0,0,0,0|2,0,0]=4 141 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [2,0,0,0,0,0|2,0,0]=4 142 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [2,0,0,0,0,0|2,0,0]=4 143 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [2,0,0,0,0,0|2,0,0]=4 144 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [2,0,0,0,0,0|2,0,0]=4 145 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [2,0,0,0,0,0|2,0,0]=4 146 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [2,0,0,0,0,0|2,0,0]=4 147 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [2,0,0,0,0,0|2,0,0]=4 148 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [2,0,0,0,0,0|2,0,0]=4 149 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [2,0,0,0,0,0|2,0,0]=4 150 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [2,0,0,0,0,0|2,0,0]=4 151 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [2,0,0,0,0,0|2,0,0]=4 152 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [2,0,0,0,0,0|2,0,0]=4 153 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [2,0,0,0,0,0|2,0,0]=4 154 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [2,0,0,0,0,0|2,0,0]=4 155 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [2,0,0,0,0,0|2,0,0]=4 156 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [2,0,0,0,0,0|2,0,0]=4 157 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [2,0,0,0,0,0|2,0,0]=4 158 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [2,0,0,0,0,0|2,0,0]=4 159 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [2,0,0,0,0,0|2,0,0]=4 160 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [2,0,0,0,0,0|2,0,0]=4 161 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [2,0,0,0,0,0|2,0,0]=4 162 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [2,0,0,0,0,0|2,0,0]=4 163 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [2,0,0,0,0,0|2,0,0]=4 164 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [2,0,0,0,0,0|2,0,0]=4 165 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [2,0,0,0,0,0|2,0,0]=4 166 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [2,0,0,0,0,0|2,0,0]=4 167 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [2,0,0,0,0,0|2,0,0]=4 168 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [2,0,0,0,0,0|2,0,0]=4 169 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [2,0,0,0,0,0|2,0,0]=4 170 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [2,0,0,0,0,0|2,0,0]=4 171 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [2,0,0,0,0,0|1,0,0]=3 172 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [2,0,0,0,0,0|1,0,1]=4 173 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [2,0,0,0,0,0|1,0,1]=4 174 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [2,0,0,0,0,0|1,0,0]=3 175 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [2,0,0,0,0,0|1,0,1]=4 176 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [2,0,0,0,0,0|1,0,0]=3 177 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [2,0,0,0,0,0|1,0,1]=4 178 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [2,0,0,0,0,0|1,0,0]=3 179 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [2,0,0,0,0,0|1,0,1]=4 180 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [2,0,0,0,0,0|1,0,1]=4 181 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [2,0,0,0,0,0|1,0,1]=4 182 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [2,0,0,0,0,0|1,0,1]=4 183 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [2,0,0,0,0,0|1,0,1]=4 184 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [2,0,0,0,0,0|1,0,1]=4 185 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [2,0,0,0,0,0|1,0,1]=4 186 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [2,0,0,0,0,0|1,0,1]=4 187 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [2,0,0,0,0,0|1,0,1]=4 188 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [2,0,0,0,0,0|1,0,1]=4 189 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [2,0,0,0,0,0|1,0,1]=4 190 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [2,0,0,0,0,0|1,0,1]=4 191 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 34a_200012125181_100009817362 [1,1,0,0,0,0|2,0,0]=4 192 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 7a_200012125181_100000735457 [1,1,0,0,0,0|2,0,0]=4 193 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [1,1,0,0,0,0|1,0,0]=3 194 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [1,1,0,0,0,0|1,0,0]=3 195 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [1,1,0,0,0,0|1,0,0]=3 196 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [1,1,0,0,0,0|1,0,0]=3 197 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 198 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 199 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 200 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 201 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [1,1,0,0,0,0|1,0,0]=3 202 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [1,1,0,0,0,0|1,0,0]=3 203 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [1,1,0,0,0,0|1,0,0]=3 204 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [1,1,0,0,0,0|1,0,0]=3 205 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [1,1,0,0,0,0|1,0,0]=3 206 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [1,1,0,0,0,0|1,0,0]=3 207 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [1,1,0,0,0,0|1,0,0]=3 208 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [1,1,0,0,0,0|1,0,0]=3 209 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [1,1,0,0,0,0|1,0,0]=3 210 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [1,1,0,0,0,0|1,0,0]=3 211 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [1,1,0,0,0,0|1,0,0]=3 212 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [1,1,0,0,0,0|1,0,0]=3 213 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [1,1,0,0,0,0|1,0,0]=3 214 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [1,1,0,0,0,0|1,0,0]=3 215 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [1,1,0,0,0,0|1,0,0]=3 216 B18R0.171 COC(=O)CCCCCCCCCCCCSCF 62a_100015361967_209314222159 [1,1,0,0,0,0|2,0,0]=4 217 B18R0.171 COC(=O)CCCCCCCCCCCSCSC 62a_100011218213_100010983606 [1,1,0,0,0,0|2,0,0]=4 218 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210684 [1,1,0,0,0,0|2,0,0]=4 219 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 7a_100000185773_100000179758 [1,1,0,0,0,0|2,0,0]=4 220 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000759014 [1,1,0,0,0,0|2,0,0]=4 221 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000759014 [1,1,0,0,0,0|2,0,0]=4 222 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [1,1,0,0,0,0|1,0,1]=4 223 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [1,1,0,0,0,0|2,0,0]=4 224 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 34a_100011218016_100009817362 [1,1,0,0,0,0|2,0,0]=4 225 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 7a_100011218016_100000735457 [1,1,0,0,0,0|2,0,0]=4 226 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210375_100000735457 [1,1,0,0,0,0|1,0,1]=4 227 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [1,1,0,0,0,0|2,0,0]=4 228 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [1,1,0,0,0,0|2,0,0]=4 229 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)C 34a_100000211253_200011217028 [1,1,0,0,0,0|2,0,0]=4 230 B18R1.8743 CCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000759014 [1,0,0,1,0,0|2,0,0]=4 231 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [1,0,0,1,0,0|2,0,0]=4 232 B18R1.292 C=CCCCCCCCCCSCC1CCCO1 62a_100000203698_100009814027 [1,0,0,1,0,0|2,0,0]=4 233 B18R1.292 C=CCCCCCCCCCSCC1CCCO1 62a_100009814027_100000203698 [1,0,0,1,0,0|2,0,0]=4 234 B18R1.317 CCCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210320 [1,0,0,1,0,0|2,0,0]=4 235 B18R1.1261 C=CCCCCCCCCSCC1CCCCO1 62a_100000211543_100011933949 [1,0,0,1,0,0|2,0,0]=4 236 B18R1.1261 C=CCCCCCCCCSCC1CCCCO1 62a_100011933949_100000211543 [1,0,0,1,0,0|2,0,0]=4 237 B18R1.1280 CCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210670 [1,0,0,1,0,0|2,0,0]=4 238 B18R1.5429 C=CCCCCCCCCCCSCC1CCO1 62a_100000103362_100011093070 [1,0,0,1,0,0|2,0,0]=4 239 B18R1.5429 C=CCCCCCCCCCCSCC1CCO1 62a_100011093070_100000103362 [1,0,0,1,0,0|2,0,0]=4 240 B18R1.21916 CCCCCCCCCCCSC1CCCC1=O 62a_100000211823_100011215454 [1,0,0,1,0,0|2,0,0]=4 241 B18R1.21926 CCCCCCCCCCCCSC1CCC1=O 62a_100009892977_100000759014 [1,0,0,1,0,0|2,0,0]=4 242 B18R1.21926 CCCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210320 [1,0,0,1,0,0|2,0,0]=4 243 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_100000210211_200009990614 [1,0,0,1,0,0|2,0,0]=4 244 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210210 [1,0,0,1,0,0|2,0,0]=4 245 B20R1.3309 CCCCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210684 [0,1,0,1,0,0|2,0,0]=4 246 B20R1.3309 CCCCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000759014 [0,1,0,1,0,0|2,0,0]=4 247 B20R1.54241 COC(=O)CCCCCCCCCCSCC1CCC1 62a_100000763275_100009812566 [0,1,0,1,0,0|2,0,0]=4 248 B20R1.55044 COC(=O)CCCCCCCCCCSC1CCCC1 62a_100011217020_100009812566 [0,1,0,1,0,0|2,0,0]=4 249 B20R1.55044 COC(=O)CCCCCCCCCSCC1CCCC1 62a_100000740388_100009813843 [0,1,0,1,0,0|2,0,0]=4 250 B20R1.55044 COC(=O)CCCCCCCCSCCC1CCCC1 62a_100000760354_100010282707 [0,1,0,1,0,0|2,0,0]=4 251 B20R1.55044 COC(=O)CCCCCCCCSCCC1CCCC1 62a_100010282707_100000760354 [0,1,0,1,0,0|2,0,0]=4 252 B20R1.55044 COC(=O)CCCCCCCSCCCC1CCCC1 62a_100010004213_100011713738 [0,1,0,1,0,0|2,0,0]=4 253 B20R1.55044 COC(=O)CCCCCCCSCCCC1CCCC1 62a_100011713738_100010004213 [0,1,0,1,0,0|2,0,0]=4 254 B20R1.63354 COC(=O)CCCCCCCCCCCSCC1CC1 62a_100000756562_100010983606 [0,1,0,1,0,0|2,0,0]=4 255 B20R1.63354 COC(=O)CCCCCCCCCCSCCC1CC1 62a_100000764125_100009812566 [0,1,0,1,0,0|2,0,0]=4 256 B20R1.80299 COC(=O)CCCCCCCCCSC1CCCCC1 62a_100000210327_100009813843 [0,1,0,1,0,0|2,0,0]=4 257 B20R1.80299 COC(=O)CCCCCCCCSCC1CCCCC1 62a_100000211423_100010282707 [0,1,0,1,0,0|2,0,0]=4 258 B20R1.80299 COC(=O)CCCCCCCCSCC1CCCCC1 62a_100010282707_100000211423 [0,1,0,1,0,0|2,0,0]=4 259 B20R1.80299 COC(=O)CCCCCCCSCCC1CCCCC1 62a_100010004213_100012355289 [0,1,0,1,0,0|2,0,0]=4 260 B20R1.80299 COC(=O)CCCCCCCSCCC1CCCCC1 62a_100012355289_100010004213 [0,1,0,1,0,0|2,0,0]=4 261 B20R1.80299 COC(=O)CCCCCCSCCCC1CCCCC1 62a_100009815986_100011713725 [0,1,0,1,0,0|2,0,0]=4 262 B20R1.80299 COC(=O)CCCCCCSCCCC1CCCCC1 62a_100011713725_100009815986 [0,1,0,1,0,0|2,0,0]=4 263 B20R1.625247 COC(=O)CCCCCCCCSC1CCCCCC1 62a_100010282707_100011217769 [0,1,0,1,0,0|2,0,0]=4 264 B20R1.625247 COC(=O)CCCCCCCCSC1CCCCCC1 62a_100011217769_100010282707 [0,1,0,1,0,0|2,0,0]=4 265 B20R1.625247 COC(=O)CCCCCCCSCC1CCCCCC1 62a_100010004213_200000696569 [0,1,0,1,0,0|2,0,0]=4 266 B20R1.625247 COC(=O)CCCCCCCSCC1CCCCCC1 62a_200000696569_100010004213 [0,1,0,1,0,0|2,0,0]=4 267 B20R1.250 CC1=CC(CCC1)OCCCCCCCCCCCO 34a_100011218613_100009812471 [0,1,0,1,0,0|2,0,0]=4 268 B20R1.250 CCCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000759014 [0,1,0,1,0,0|2,0,0]=4 269 B20R1.30779 NC(=O)CCCCCCCCCCSC1CCCCC1 62a_100000210327_200010167045 [0,1,0,1,0,0|2,0,0]=4 270 B20R1.30779 NC(=O)CCCCCCCCCCSC1CCCCC1 62a_200010167045_100000210327 [0,1,0,1,0,0|2,0,0]=4 271 B20R1.32754 CCCCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210684 [0,1,0,1,0,0|2,0,0]=4 272 B20R1.32754 CCCCCCCCCCCCCOCC1CC(=O)C1 7a_100000185773_100009874392 [0,1,0,1,0,0|2,0,0]=4 273 B20R1.32754 O=C1CC(C1)COCCCCCCCCCCCCBr 7a_100009813331_100009874392 [0,1,0,1,0,0|2,0,0]=4 274 B20R1.232700 CC(=O)CCCCNC1CCCCCCCCCCC1 34a_100011194316_100009817362 [0,1,0,1,0,0|2,0,0]=4 275 B20R1.232700 CC(=O)CCCCOC1CCCCCCCCCCC1 34a_100000211378_100009817362 [0,1,0,1,0,0|2,0,0]=4 276 B20R1.232700 CC(=O)CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000735457 [0,1,0,1,0,0|2,0,0]=4